Geometry & MOs

Info

ID:

7288

PubChem CID:

71937

Reduced:

NO5C22H24 (1)

Stoich.:

AB5C22D24 (1)

Weight, g/mol:

382.165448

ΔHf, kcal/mol:

-97.59

Dipole, Da:

8.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.869405

Charge, e:

 1

Chem-info

IUPAC name:

11,17-dimethoxy-4-methylidenespiro[2,15-dioxa-6-azoniatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3(8),10,12(16),13-pentaene-6,1'-azinan-1-ium]-9-one

Drug info:

PubChemData

Smile

COC1=C2C(=C(C3=C1C=CO3)OC)OC4=C(C2=O)C[N+]5(CCCCC5)CC4=C

DOS

IR

Vibrations